I am trying to model the incorporation of Cu atoms on Ag atoms (core) using MD
The attractive energy term I am using is derived from electronic structure in
the tight-binding second-moment approximation scheme (TB-SMA).
The exact term is something like sqrt(z.exp[-2q(r/r0-1)])
The repulsive pairwise interaction is assumed to be of Born-Mayer type, which
is something like A.exp[-p(r/r0-1)].
Has anyone used these schemes with LAMMPS? If so, did you use one of the
existing potentials in LAMMPS or had to write a new one?
Any help on this would be greatly appreciated.